N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide

C12H18N4O — CID 43701315

IUPACN-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ccncc1NC(=O)C1CCCN1
InChIInChI=1S/C12H18N4O/c1-16(2)11-5-7-13-8-10(11)15-12(17)9-4-3-6-14-9/h5,7-9,14H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyLNOGKWWDPFRAIF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.84
Rot. Bonds3

About N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide

N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 43701315) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID43701315
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ccncc1NC(=O)C1CCCN1
InChIInChI=1S/C12H18N4O/c1-16(2)11-5-7-13-8-10(11)15-12(17)9-4-3-6-14-9/h5,7-9,14H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyLNOGKWWDPFRAIF-UHFFFAOYSA-N
XLogP0.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750
N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43706722
(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93268970
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
CID 64563799
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 43701315) is N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide is CN(C)c1ccncc1NC(=O)C1CCCN1.
What is the InChIKey of N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is LNOGKWWDPFRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(2)11-5-7-13-8-10(11)15-12(17)9-4-3-6-14-9/h5,7-9,14H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43701315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).