1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

C14H19N3O — CID 81172415

IUPAC1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)N(Cc2ccncc2)C2CC2)CCC1
InChIInChI=1S/C14H19N3O/c15-14(6-1-7-14)13(18)17(12-2-3-12)10-11-4-8-16-9-5-11/h4-5,8-9,12H,1-3,6-7,10,15H2
InChIKeyCQNUXSLAEKUNLC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.45
Rot. Bonds4

About 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 81172415) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID81172415
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)N(Cc2ccncc2)C2CC2)CCC1
InChIInChI=1S/C14H19N3O/c15-14(6-1-7-14)13(18)17(12-2-3-12)10-11-4-8-16-9-5-11/h4-5,8-9,12H,1-3,6-7,10,15H2
InChIKeyCQNUXSLAEKUNLC-UHFFFAOYSA-N
XLogP1.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 3224906
N-cyclopropyl-4-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 63128438
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (CID 81172415) is 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is NC1(C(=O)N(Cc2ccncc2)C2CC2)CCC1.
What is the InChIKey of 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is CQNUXSLAEKUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-14(6-1-7-14)13(18)17(12-2-3-12)10-11-4-8-16-9-5-11/h4-5,8-9,12H,1-3,6-7,10,15H2.
What are the key properties of 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81172415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).