N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride

C18H28Cl2N4O2 — CID 119879371

IUPACN-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(=O)C2CC2)nc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-12(14-3-2-8-19-10-14)9-17(23)21-15-6-7-16(20-11-15)22-18(24)13-4-5-13;;/h6-7,11-14,19H,2-5,8-10H2,1H3,(H,21,23)(H,20,22,24);2*1H
InChIKeyARMGGERGDVZDSK-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.24
Rot. Bonds6

About N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride

N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride (PubChem CID 119879371) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
PubChem CID119879371
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC NameN-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(=O)C2CC2)nc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-12(14-3-2-8-19-10-14)9-17(23)21-15-6-7-16(20-11-15)22-18(24)13-4-5-13;;/h6-7,11-14,19H,2-5,8-10H2,1H3,(H,21,23)(H,20,22,24);2*1H
InChIKeyARMGGERGDVZDSK-UHFFFAOYSA-N
XLogP3.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride with MolForge

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Related Compounds

N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119845919
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
The IUPAC name of N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride (CID 119879371) is N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride.
What is the SMILES notation for N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
The canonical SMILES for N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride is CC(CC(=O)Nc1ccc(NC(=O)C2CC2)nc1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
The InChIKey is ARMGGERGDVZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c1-12(14-3-2-8-19-10-14)9-17(23)21-15-6-7-16(20-11-15)22-18(24)13-4-5-13;;/h6-7,11-14,19H,2-5,8-10H2,1H3,(H,21,23)(H,20,22,24);2*1H.
What are the key properties of N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride is sourced from PubChem (CID 119879371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).