N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride

C14H20Cl2N4O2 — CID 119879391

IUPACN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(NC(=O)C2CCCN2)cn1)C1CC1
InChIInChI=1S/C14H18N4O2.2ClH/c19-13(9-3-4-9)18-12-6-5-10(8-16-12)17-14(20)11-2-1-7-15-11;;/h5-6,8-9,11,15H,1-4,7H2,(H,17,20)(H,16,18,19);2*1H
InChIKeyPGYHORLDBGUOPQ-UHFFFAOYSA-N
MW347.25 g/mol
LogP1.96
Rot. Bonds4

About N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119879391) has the molecular formula C14H20Cl2N4O2 and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119879391
Molecular FormulaC14H20Cl2N4O2
Molecular Weight347.25 g/mol
Exact Mass346.10
IUPAC NameN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(NC(=O)C2CCCN2)cn1)C1CC1
InChIInChI=1S/C14H18N4O2.2ClH/c19-13(9-3-4-9)18-12-6-5-10(8-16-12)17-14(20)11-2-1-7-15-11;;/h5-6,8-9,11,15H,1-4,7H2,(H,17,20)(H,16,18,19);2*1H
InChIKeyPGYHORLDBGUOPQ-UHFFFAOYSA-N
XLogP1.96
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 122081463
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119871174
N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43426246
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119879391) is N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(NC(=O)C2CCCN2)cn1)C1CC1.
What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is PGYHORLDBGUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.2ClH/c19-13(9-3-4-9)18-12-6-5-10(8-16-12)17-14(20)11-2-1-7-15-11;;/h5-6,8-9,11,15H,1-4,7H2,(H,17,20)(H,16,18,19);2*1H.
What are the key properties of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 347.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119879391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).