N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide

C20H22N6O3 — CID 22329966

IUPACN-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C20H22N6O3/c1-12(28)23-15-6-7-17(21-10-15)24-20-22-9-13-8-14(11-27)19(29)26(18(13)25-20)16-4-2-3-5-16/h6-10,16,27H,2-5,11H2,1H3,(H,23,28)(H,21,22,24,25)
InChIKeySLHDPVKRCITILB-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.50
Rot. Bonds5

About N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide

N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide (PubChem CID 22329966) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
PubChem CID22329966
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C20H22N6O3/c1-12(28)23-15-6-7-17(21-10-15)24-20-22-9-13-8-14(11-27)19(29)26(18(13)25-20)16-4-2-3-5-16/h6-10,16,27H,2-5,11H2,1H3,(H,23,28)(H,21,22,24,25)
InChIKeySLHDPVKRCITILB-UHFFFAOYSA-N
XLogP2.50
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide (CID 22329966) is N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)nc1.
What is the InChIKey of N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
The InChIKey is SLHDPVKRCITILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12(28)23-15-6-7-17(21-10-15)24-20-22-9-13-8-14(11-27)19(29)26(18(13)25-20)16-4-2-3-5-16/h6-10,16,27H,2-5,11H2,1H3,(H,23,28)(H,21,22,24,25).
What are the key properties of N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 22329966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).