2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide

C35H36N6O3 — CID 143871476

IUPAC2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide
SMILESNC(=O)C1NC=C(n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)C=C1NC1CCCCC1.NCC(=O)O
InChIInChI=1S/C33H31N5O.C2H5NO2/c34-33(39)32-28(37-23-10-2-1-3-11-23)18-24(20-36-32)38-29-15-7-5-12-26(29)31-25(13-8-16-30(31)38)22-17-21-9-4-6-14-27(21)35-19-22;3-1-2(4)5/h4-9,12-20,23,32,36-37H,1-3,10-11H2,(H2,34,39);1,3H2,(H,4,5)
InChIKeyLNIFJDDBILDITQ-UHFFFAOYSA-N
MW588.71 g/mol
LogP5.10
Rot. Bonds6

About 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide

2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide (PubChem CID 143871476) has the molecular formula C35H36N6O3 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide
PubChem CID143871476
Molecular FormulaC35H36N6O3
Molecular Weight588.71 g/mol
Exact Mass588.28
IUPAC Name2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide
SMILESNC(=O)C1NC=C(n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)C=C1NC1CCCCC1.NCC(=O)O
InChIInChI=1S/C33H31N5O.C2H5NO2/c34-33(39)32-28(37-23-10-2-1-3-11-23)18-24(20-36-32)38-29-15-7-5-12-26(29)31-25(13-8-16-30(31)38)22-17-21-9-4-6-14-27(21)35-19-22;3-1-2(4)5/h4-9,12-20,23,32,36-37H,1-3,10-11H2,(H2,34,39);1,3H2,(H,4,5)
InChIKeyLNIFJDDBILDITQ-UHFFFAOYSA-N
XLogP5.10
TPSA148.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 55.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide with MolForge

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Related Compounds

2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 58338230
4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
CID 58338310
3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide
CID 58338206
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308148
2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
CID 23291769
2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 67307881
7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958130
2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308741
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
CID 58173413
4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol
CID 141281121

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide (CID 143871476) is 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide is NC(=O)C1NC=C(n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)C=C1NC1CCCCC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide?
The InChIKey is LNIFJDDBILDITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O.C2H5NO2/c34-33(39)32-28(37-23-10-2-1-3-11-23)18-24(20-36-32)38-29-15-7-5-12-26(29)31-25(13-8-16-30(31)38)22-17-21-9-4-6-14-27(21)35-19-22;3-1-2(4)5/h4-9,12-20,23,32,36-37H,1-3,10-11H2,(H2,34,39);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide?
2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide has a molecular weight of 588.71 g/mol, XLogP of 5.10, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 143871476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).