2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide

C26H31N5O2 — CID 92637740

IUPAC2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)nc2ccccc12
InChIInChI=1S/C26H31N5O2/c1-18(2)28-26(33)22-14-24(29-23-10-5-4-9-21(22)23)19-11-13-31(15-19)25(32)17-30(3)16-20-8-6-7-12-27-20/h4-10,12,14,18-19H,11,13,15-17H2,1-3H3,(H,28,33)/t19-/m1/s1
InChIKeyAGCRUURWTQUGIK-LJQANCHMSA-N
MW445.57 g/mol
LogP3.22
Rot. Bonds7

About 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 92637740) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID92637740
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)nc2ccccc12
InChIInChI=1S/C26H31N5O2/c1-18(2)28-26(33)22-14-24(29-23-10-5-4-9-21(22)23)19-11-13-31(15-19)25(32)17-30(3)16-20-8-6-7-12-27-20/h4-10,12,14,18-19H,11,13,15-17H2,1-3H3,(H,28,33)/t19-/m1/s1
InChIKeyAGCRUURWTQUGIK-LJQANCHMSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251614
N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638872
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772022
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 92637740) is 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)nc2ccccc12.
What is the InChIKey of 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is AGCRUURWTQUGIK-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18(2)28-26(33)22-14-24(29-23-10-5-4-9-21(22)23)19-11-13-31(15-19)25(32)17-30(3)16-20-8-6-7-12-27-20/h4-10,12,14,18-19H,11,13,15-17H2,1-3H3,(H,28,33)/t19-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 92637740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).