N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide

C17H21N5O3 — CID 51589299

IUPACN-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide
SMILESO=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC1CC1
InChIInChI=1S/C17H21N5O3/c23-13(19-11-3-4-11)10-22-9-7-17(6-5-14(22)24)20-15-12(16(25)21-17)2-1-8-18-15/h1-2,8,11H,3-7,9-10H2,(H,18,20)(H,19,23)(H,21,25)/t17-/m1/s1
InChIKeyJCQJEBBZJUIWMC-QGZVFWFLSA-N
MW343.39 g/mol
LogP0.22
Rot. Bonds3

About N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide

N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide (PubChem CID 51589299) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide
PubChem CID51589299
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide
SMILESO=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC1CC1
InChIInChI=1S/C17H21N5O3/c23-13(19-11-3-4-11)10-22-9-7-17(6-5-14(22)24)20-15-12(16(25)21-17)2-1-8-18-15/h1-2,8,11H,3-7,9-10H2,(H,18,20)(H,19,23)(H,21,25)/t17-/m1/s1
InChIKeyJCQJEBBZJUIWMC-QGZVFWFLSA-N
XLogP0.22
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
CID 92572053
(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide
CID 95793291
2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 92563289
(2R)-1'-[2-oxo-2-[(3S)-3-phenylpiperidin-1-yl]ethyl]spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
CID 92574331
N-benzyl-2-(2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl)-N-ethylacetamide
CID 110212124
N-cyclopentyl-2-[(2S)-2',4-dioxospiro[3H-1,3-benzoxazine-2,5'-azepane]-1'-yl]acetamide
CID 95793080
N-cyclopentyl-2-[(2R)-2',4-dioxospiro[3H-1,3-benzoxazine-2,5'-azepane]-1'-yl]acetamide
CID 95793079
(2R)-1'-[(2R)-1-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
CID 124869372
N-cyclopentyl-2-[(2S)-6-methyl-2',4-dioxospiro[3H-1,3-benzoxazine-2,5'-azepane]-1'-yl]acetamide
CID 51586210
(2R)-2-[(2S)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 95793346
1'-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110211989
2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-methylquinolin-6-yl)acetamide
CID 92560441

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide (CID 51589299) is N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide is O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide?
The InChIKey is JCQJEBBZJUIWMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-13(19-11-3-4-11)10-22-9-7-17(6-5-14(22)24)20-15-12(16(25)21-17)2-1-8-18-15/h1-2,8,11H,3-7,9-10H2,(H,18,20)(H,19,23)(H,21,25)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide?
N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]acetamide is sourced from PubChem (CID 51589299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).