1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C11H15N3O — CID 80587648

IUPAC1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cccnc1NC(=O)C1(CN)CC1
InChIInChI=1S/C11H15N3O/c1-8-3-2-6-13-9(8)14-10(15)11(7-12)4-5-11/h2-3,6H,4-5,7,12H2,1H3,(H,13,14,15)
InChIKeyKWMFLHLFCCMSFN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.07
Rot. Bonds3

About 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 80587648) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID80587648
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cccnc1NC(=O)C1(CN)CC1
InChIInChI=1S/C11H15N3O/c1-8-3-2-6-13-9(8)14-10(15)11(7-12)4-5-11/h2-3,6H,4-5,7,12H2,1H3,(H,13,14,15)
InChIKeyKWMFLHLFCCMSFN-UHFFFAOYSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 80587648) is 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1cccnc1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is KWMFLHLFCCMSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-3-2-6-13-9(8)14-10(15)11(7-12)4-5-11/h2-3,6H,4-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).