N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide

C16H19N5O — CID 118238035

IUPACN-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(NCC3CC3)c2)ccn1
InChIInChI=1S/C16H19N5O/c1-10(22)21-15-7-12(4-5-18-15)13-6-14(16(17)20-9-13)19-8-11-2-3-11/h4-7,9,11,19H,2-3,8H2,1H3,(H2,17,20)(H,18,21,22)
InChIKeyXOLJSGCMIOJJED-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.51
Rot. Bonds5

About N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118238035) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118238035
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(NCC3CC3)c2)ccn1
InChIInChI=1S/C16H19N5O/c1-10(22)21-15-7-12(4-5-18-15)13-6-14(16(17)20-9-13)19-8-11-2-3-11/h4-7,9,11,19H,2-3,8H2,1H3,(H2,17,20)(H,18,21,22)
InChIKeyXOLJSGCMIOJJED-UHFFFAOYSA-N
XLogP2.51
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118238035) is N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(NCC3CC3)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is XOLJSGCMIOJJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(22)21-15-7-12(4-5-18-15)13-6-14(16(17)20-9-13)19-8-11-2-3-11/h4-7,9,11,19H,2-3,8H2,1H3,(H2,17,20)(H,18,21,22).
What are the key properties of N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118238035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).