N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride

C13H20Cl2N4O2 — CID 119873236

IUPACN-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(CCNC(=O)C1CCCN1)Nc1cccnc1
InChIInChI=1S/C13H18N4O2.2ClH/c18-12(17-10-3-1-6-14-9-10)5-8-16-13(19)11-4-2-7-15-11;;/h1,3,6,9,11,15H,2,4-5,7-8H2,(H,16,19)(H,17,18);2*1H
InChIKeyMDAAPHFSAFMQKE-UHFFFAOYSA-N
MW335.24 g/mol
LogP1.12
Rot. Bonds5

About N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119873236) has the molecular formula C13H20Cl2N4O2 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119873236
Molecular FormulaC13H20Cl2N4O2
Molecular Weight335.24 g/mol
Exact Mass334.10
IUPAC NameN-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(CCNC(=O)C1CCCN1)Nc1cccnc1
InChIInChI=1S/C13H18N4O2.2ClH/c18-12(17-10-3-1-6-14-9-10)5-8-16-13(19)11-4-2-7-15-11;;/h1,3,6,9,11,15H,2,4-5,7-8H2,(H,16,19)(H,17,18);2*1H
InChIKeyMDAAPHFSAFMQKE-UHFFFAOYSA-N
XLogP1.12
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide
CID 119873237
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 119297979
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754726
3-[[2-(cyclopropylmethoxy)acetyl]amino]-N-pyridin-3-ylpropanamide
CID 167813962
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 119871359
N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 166398472
N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870444

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119873236) is N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(CCNC(=O)C1CCCN1)Nc1cccnc1.
What is the InChIKey of N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is MDAAPHFSAFMQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.2ClH/c18-12(17-10-3-1-6-14-9-10)5-8-16-13(19)11-4-2-7-15-11;;/h1,3,6,9,11,15H,2,4-5,7-8H2,(H,16,19)(H,17,18);2*1H.
What are the key properties of N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 335.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119873236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).