N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide

C19H27N5O — CID 95722116

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCC(C)C[C@H]1CCN(c2ccnc(C(=O)NCCc3cnc[nH]3)c2)C1
InChIInChI=1S/C19H27N5O/c1-14(2)9-15-5-8-24(12-15)17-4-7-21-18(10-17)19(25)22-6-3-16-11-20-13-23-16/h4,7,10-11,13-15H,3,5-6,8-9,12H2,1-2H3,(H,20,23)(H,22,25)/t15-/m1/s1
InChIKeyOXAFCCDINLZOFQ-OAHLLOKOSA-N
MW341.46 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 95722116) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID95722116
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCC(C)C[C@H]1CCN(c2ccnc(C(=O)NCCc3cnc[nH]3)c2)C1
InChIInChI=1S/C19H27N5O/c1-14(2)9-15-5-8-24(12-15)17-4-7-21-18(10-17)19(25)22-6-3-16-11-20-13-23-16/h4,7,10-11,13-15H,3,5-6,8-9,12H2,1-2H3,(H,20,23)(H,22,25)/t15-/m1/s1
InChIKeyOXAFCCDINLZOFQ-OAHLLOKOSA-N
XLogP2.65
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95724039
N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215433
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215399
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027842
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide (CID 95722116) is N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide is CC(C)C[C@H]1CCN(c2ccnc(C(=O)NCCc3cnc[nH]3)c2)C1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is OXAFCCDINLZOFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)9-15-5-8-24(12-15)17-4-7-21-18(10-17)19(25)22-6-3-16-11-20-13-23-16/h4,7,10-11,13-15H,3,5-6,8-9,12H2,1-2H3,(H,20,23)(H,22,25)/t15-/m1/s1.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95722116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).