N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide

C18H21FN4O — CID 167920986

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1
InChIInChI=1S/C18H21FN4O/c1-23(16-5-3-2-4-6-16)17-8-7-13(10-21-17)18(24)22-12-15-9-14(19)11-20-15/h2-8,10,14-15,20H,9,11-12H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyOWSCQRQECJAXPV-GJZGRUSLSA-N
MW328.39 g/mol
LogP2.28
Rot. Bonds5

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 167920986) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID167920986
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1
InChIInChI=1S/C18H21FN4O/c1-23(16-5-3-2-4-6-16)17-8-7-13(10-21-17)18(24)22-12-15-9-14(19)11-20-15/h2-8,10,14-15,20H,9,11-12H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyOWSCQRQECJAXPV-GJZGRUSLSA-N
XLogP2.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 120576251
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 154896280
N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 167915406
benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
CID 70733572
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide
CID 167768916
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119625279

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide (CID 167920986) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide is CN(c1ccccc1)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is OWSCQRQECJAXPV-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-23(16-5-3-2-4-6-16)17-8-7-13(10-21-17)18(24)22-12-15-9-14(19)11-20-15/h2-8,10,14-15,20H,9,11-12H2,1H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 167920986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).