2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

C17H15N7O — CID 72922730

IUPAC2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2nc(-c3cccnc3)no2)c2cccnc2n1
InChIInChI=1S/C17H15N7O/c1-10(17-23-14(24-25-17)12-5-3-7-18-9-12)20-16-13-6-4-8-19-15(13)21-11(2)22-16/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyLJUNLTJMMWZUCB-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72922730) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID72922730
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2nc(-c3cccnc3)no2)c2cccnc2n1
InChIInChI=1S/C17H15N7O/c1-10(17-23-14(24-25-17)12-5-3-7-18-9-12)20-16-13-6-4-8-19-15(13)21-11(2)22-16/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyLJUNLTJMMWZUCB-UHFFFAOYSA-N
XLogP2.95
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US9670193, 9 N-(1-(pyridin-4-yl)ethyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71577042
US9670193, 15 N-(1-(pyridin-4-yl)propyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71577113
US9670193, 44 (R)-N-(Pyridin-4-yl)ethyl)-5-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine
CID 89611404
US11066396, Example 379
CID 132258640
US11458138, Example 326
CID 137350817
(2S)-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propanamide
CID 139269395
(2S)-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propanamide
CID 139269436
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-4,5-dihydro-3H-purin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propanamide
CID 162679707
US10399987, Example 21
CID 126537534
4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 71583048
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 72141156
(4S)-4-propan-2-yl-3-[2-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 72922730) is 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NC(C)c2nc(-c3cccnc3)no2)c2cccnc2n1.
What is the InChIKey of 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LJUNLTJMMWZUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-10(17-23-14(24-25-17)12-5-3-7-18-9-12)20-16-13-6-4-8-19-15(13)21-11(2)22-16/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 333.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72922730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).