N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide

C21H24N6O — CID 91923141

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C21H24N6O/c1-26(2)12-17-13-27(21-23-9-4-10-24-21)14-19(17)25-20(28)16-6-7-18-15(11-16)5-3-8-22-18/h3-11,17,19H,12-14H2,1-2H3,(H,25,28)/t17-,19-/m1/s1
InChIKeySUGFRPNJPXUDLS-IEBWSBKVSA-N
MW376.46 g/mol
LogP1.82
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide (PubChem CID 91923141) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide
PubChem CID91923141
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C21H24N6O/c1-26(2)12-17-13-27(21-23-9-4-10-24-21)14-19(17)25-20(28)16-6-7-18-15(11-16)5-3-8-22-18/h3-11,17,19H,12-14H2,1-2H3,(H,25,28)/t17-,19-/m1/s1
InChIKeySUGFRPNJPXUDLS-IEBWSBKVSA-N
XLogP1.82
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 110202522
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
N-[4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 171142622
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 91923149
N-[2-[(dimethylamino)methyl]cyclohexyl]naphthalene-2-carboxamide
CID 110279247
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide (CID 91923141) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide is CN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide?
The InChIKey is SUGFRPNJPXUDLS-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)12-17-13-27(21-23-9-4-10-24-21)14-19(17)25-20(28)16-6-7-18-15(11-16)5-3-8-22-18/h3-11,17,19H,12-14H2,1-2H3,(H,25,28)/t17-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 91923141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).