N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C23H28N4O2 — CID 11603549

IUPACN-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)nc1
InChIInChI=1S/C23H28N4O2/c1-24-22(28)19-10-11-21(25-15-19)17-6-8-18(9-7-17)23(29)27-14-4-5-20(27)16-26-12-2-3-13-26/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,24,28)
InChIKeyCTVFBBAYZONMOM-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide

N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 11603549) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID11603549
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)nc1
InChIInChI=1S/C23H28N4O2/c1-24-22(28)19-10-11-21(25-15-19)17-6-8-18(9-7-17)23(29)27-14-4-5-20(27)16-26-12-2-3-13-26/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,24,28)
InChIKeyCTVFBBAYZONMOM-UHFFFAOYSA-N
XLogP2.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
CID 67373908
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11582434
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
[4-(butylamino)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15951002
[4-[4-(4-chlorophenyl)pyrazol-1-yl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11690629
[4-(3-piperidin-1-ylpropoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59640597

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 11603549) is N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)nc1.
What is the InChIKey of N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is CTVFBBAYZONMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-24-22(28)19-10-11-21(25-15-19)17-6-8-18(9-7-17)23(29)27-14-4-5-20(27)16-26-12-2-3-13-26/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,24,28).
What are the key properties of N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11603549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).