5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide

C18H21N5O3 — CID 118249210

IUPAC5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)ccn1
InChIInChI=1S/C18H21N5O3/c1-11(24)22-16-9-12(2-5-20-16)13-8-15(17(19)21-10-13)18(25)23-14-3-6-26-7-4-14/h2,5,8-10,14H,3-4,6-7H2,1H3,(H2,19,21)(H,23,25)(H,20,22,24)
InChIKeyLRLXWKCKLMZDDK-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.59
Rot. Bonds4

About 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide

5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 118249210) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID118249210
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)ccn1
InChIInChI=1S/C18H21N5O3/c1-11(24)22-16-9-12(2-5-20-16)13-8-15(17(19)21-10-13)18(25)23-14-3-6-26-7-4-14/h2,5,8-10,14H,3-4,6-7H2,1H3,(H2,19,21)(H,23,25)(H,20,22,24)
InChIKeyLRLXWKCKLMZDDK-UHFFFAOYSA-N
XLogP1.59
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(oxan-4-yl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 169087569
2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 175443441
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238035
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
CID 160968052
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
2-amino-N-methyl-5-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 144889183
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide (CID 118249210) is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide is CC(=O)Nc1cc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)ccn1.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is LRLXWKCKLMZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11(24)22-16-9-12(2-5-20-16)13-8-15(17(19)21-10-13)18(25)23-14-3-6-26-7-4-14/h2,5,8-10,14H,3-4,6-7H2,1H3,(H2,19,21)(H,23,25)(H,20,22,24).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide?
5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118249210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).