N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide

C15H17N5O — CID 166407641

IUPACN-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCC(Nc2ccccn2)C1
InChIInChI=1S/C15H17N5O/c21-15(19-14-6-2-4-9-17-14)20-10-7-12(11-20)18-13-5-1-3-8-16-13/h1-6,8-9,12H,7,10-11H2,(H,16,18)(H,17,19,21)
InChIKeyVIFSEBWTCNYNGI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.19
Rot. Bonds3

About N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide

N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide (PubChem CID 166407641) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
PubChem CID166407641
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCC(Nc2ccccn2)C1
InChIInChI=1S/C15H17N5O/c21-15(19-14-6-2-4-9-17-14)20-10-7-12(11-20)18-13-5-1-3-8-16-13/h1-6,8-9,12H,7,10-11H2,(H,16,18)(H,17,19,21)
InChIKeyVIFSEBWTCNYNGI-UHFFFAOYSA-N
XLogP2.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
3-(pyridin-2-ylamino)pyrrolidine-1-carbaldehyde
CID 151863774
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267301
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
4-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide (CID 166407641) is N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide is O=C(Nc1ccccn1)N1CCC(Nc2ccccn2)C1.
What is the InChIKey of N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide?
The InChIKey is VIFSEBWTCNYNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(19-14-6-2-4-9-17-14)20-10-7-12(11-20)18-13-5-1-3-8-16-13/h1-6,8-9,12H,7,10-11H2,(H,16,18)(H,17,19,21).
What are the key properties of N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide?
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166407641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).