N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide

C24H25N7O3 — CID 24780665

IUPACN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide
SMILESCCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4cccnc4)nc3)nc21
InChIInChI=1S/C24H25N7O3/c1-3-12-30-21-19(23(33)31(24(30)34)17-8-9-17)27-20(28-21)15-7-10-18(26-14-15)29(4-2)22(32)16-6-5-11-25-13-16/h5-7,10-11,13-14,17H,3-4,8-9,12H2,1-2H3,(H,27,28)
InChIKeyWULKGVCEOREGQF-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.75
Rot. Bonds7

About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide (PubChem CID 24780665) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide
PubChem CID24780665
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide
SMILESCCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4cccnc4)nc3)nc21
InChIInChI=1S/C24H25N7O3/c1-3-12-30-21-19(23(33)31(24(30)34)17-8-9-17)27-20(28-21)15-7-10-18(26-14-15)29(4-2)22(32)16-6-5-11-25-13-16/h5-7,10-11,13-14,17H,3-4,8-9,12H2,1-2H3,(H,27,28)
InChIKeyWULKGVCEOREGQF-UHFFFAOYSA-N
XLogP2.75
TPSA118.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide (CID 24780665) is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide is CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4cccnc4)nc3)nc21.
What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide?
The InChIKey is WULKGVCEOREGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-3-12-30-21-19(23(33)31(24(30)34)17-8-9-17)27-20(28-21)15-7-10-18(26-14-15)29(4-2)22(32)16-6-5-11-25-13-16/h5-7,10-11,13-14,17H,3-4,8-9,12H2,1-2H3,(H,27,28).
What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide?
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 24780665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).