2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide

C12H17N3O — CID 63939345

IUPAC2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccnc(N)c1
InChIInChI=1S/C12H17N3O/c1-2-15(8-9-3-4-9)12(16)10-5-6-14-11(13)7-10/h5-7,9H,2-4,8H2,1H3,(H2,13,14)
InChIKeyTXAHGMJGJJVUJN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.54
Rot. Bonds4

About 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide

2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide (PubChem CID 63939345) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
PubChem CID63939345
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccnc(N)c1
InChIInChI=1S/C12H17N3O/c1-2-15(8-9-3-4-9)12(16)10-5-6-14-11(13)7-10/h5-7,9H,2-4,8H2,1H3,(H2,13,14)
InChIKeyTXAHGMJGJJVUJN-UHFFFAOYSA-N
XLogP1.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
6-amino-N-(cyclopropylmethyl)-N-ethylpyridine-2-carboxamide
CID 63940117
2-amino-N-butyl-N-cyclopropylpyridine-4-carboxamide
CID 62161731
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
2-amino-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridine-4-carboxamide
CID 107401363
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
N-(cyclopropylmethyl)-N-ethyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382644
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide (CID 63939345) is 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide is CCN(CC1CC1)C(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide?
The InChIKey is TXAHGMJGJJVUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15(8-9-3-4-9)12(16)10-5-6-14-11(13)7-10/h5-7,9H,2-4,8H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide?
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 63939345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).