N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride

C23H30Cl2N4O2 — CID 119622893

IUPACN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)N2CCC(NCC3CC3)CC2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-16-3-2-4-20(21(16)26-22(28)18-7-11-24-12-8-18)23(29)27-13-9-19(10-14-27)25-15-17-5-6-17;;/h2-4,7-8,11-12,17,19,25H,5-6,9-10,13-15H2,1H3,(H,26,28);2*1H
InChIKeyKNRRTFGEOXXGKI-UHFFFAOYSA-N
MW465.43 g/mol
LogP4.09
Rot. Bonds6

About N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride

N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119622893) has the molecular formula C23H30Cl2N4O2 and a molecular weight of 465.43 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID119622893
Molecular FormulaC23H30Cl2N4O2
Molecular Weight465.43 g/mol
Exact Mass464.17
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)N2CCC(NCC3CC3)CC2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-16-3-2-4-20(21(16)26-22(28)18-7-11-24-12-8-18)23(29)27-13-9-19(10-14-27)25-15-17-5-6-17;;/h2-4,7-8,11-12,17,19,25H,5-6,9-10,13-15H2,1H3,(H,26,28);2*1H
InChIKeyKNRRTFGEOXXGKI-UHFFFAOYSA-N
XLogP4.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119484588
N-[2-(3-aminopiperidine-1-carbonyl)-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119378723
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119594102
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-iodo-4-methylphenyl)methanone;hydrochloride
CID 119625200
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119625204

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride (CID 119622893) is N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride is Cc1cccc(C(=O)N2CCC(NCC3CC3)CC2)c1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is KNRRTFGEOXXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.2ClH/c1-16-3-2-4-20(21(16)26-22(28)18-7-11-24-12-8-18)23(29)27-13-9-19(10-14-27)25-15-17-5-6-17;;/h2-4,7-8,11-12,17,19,25H,5-6,9-10,13-15H2,1H3,(H,26,28);2*1H.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride?
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 465.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119622893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).