methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate

C25H31N7O3 — CID 130421885

IUPACmethyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
SMILESCCc1ccc2cc(N)c(C(=O)Nc3cnccc3N3CC(C)C(NC(=O)OC)C(N)C3)nc2c1
InChIInChI=1S/C25H31N7O3/c1-4-15-5-6-16-10-17(26)23(29-19(16)9-15)24(33)30-20-11-28-8-7-21(20)32-12-14(2)22(18(27)13-32)31-25(34)35-3/h5-11,14,18,22H,4,12-13,26-27H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyBVAVPTONDVMAKZ-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.53
Rot. Bonds5

About methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate

methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate (PubChem CID 130421885) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
PubChem CID130421885
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Namemethyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
SMILESCCc1ccc2cc(N)c(C(=O)Nc3cnccc3N3CC(C)C(NC(=O)OC)C(N)C3)nc2c1
InChIInChI=1S/C25H31N7O3/c1-4-15-5-6-16-10-17(26)23(29-19(16)9-15)24(33)30-20-11-28-8-7-21(20)32-12-14(2)22(18(27)13-32)31-25(34)35-3/h5-11,14,18,22H,4,12-13,26-27H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyBVAVPTONDVMAKZ-UHFFFAOYSA-N
XLogP2.53
TPSA148.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S,5S)-3-amino-1-[3-[[3-amino-7-(1-methylpiperidin-4-yl)quinoline-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamic acid
CID 90279738
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide
CID 118646843
3-amino-N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(oxan-4-yl)quinoline-2-carboxamide
CID 90279644
tert-butyl N-[(3R,4R,5S)-1-[3-[[3-amino-7-(oxan-4-yl)quinoline-2-carbonyl]amino]-4-pyridinyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamate
CID 86726918
benzyl N-[2-[[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-7-(2-oxopiperidin-1-yl)quinolin-3-yl]carbamate
CID 86726938
tert-butyl N-[(3R,4S,5S)-4-(methoxycarbonylamino)-5-methyl-1-[3-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-(phenylmethoxycarbonylamino)quinoline-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 86726970
benzyl N-[2-[[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-7-(3-oxomorpholin-4-yl)quinolin-3-yl]carbamate
CID 86726943
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[5-fluoro-6-[2-fluoro-6-hydroxy-4-(1-hydroxycyclobutyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 136510190
3-amino-N-[4-[(3R,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 90280923
3-amino-N-[4-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-(1-methylpiperidin-4-yl)quinoline-2-carboxamide
CID 90279648
3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-[2,6-difluoro-4-(oxetan-3-yl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70654551
3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-7-ethylquinoline-2-carboxamide
CID 86726876

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate?
The IUPAC name of methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate (CID 130421885) is methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate is CCc1ccc2cc(N)c(C(=O)Nc3cnccc3N3CC(C)C(NC(=O)OC)C(N)C3)nc2c1.
What is the InChIKey of methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate?
The InChIKey is BVAVPTONDVMAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-4-15-5-6-16-10-17(26)23(29-19(16)9-15)24(33)30-20-11-28-8-7-21(20)32-12-14(2)22(18(27)13-32)31-25(34)35-3/h5-11,14,18,22H,4,12-13,26-27H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate?
methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate has a molecular weight of 477.57 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-amino-1-[3-[(3-amino-7-ethylquinoline-2-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 130421885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).