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

C18H23N5O3 — CID 95793291

IUPAC(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2
InChIInChI=1S/C18H23N5O3/c1-11(16(25)20-12-4-5-12)23-10-8-18(7-6-14(23)24)21-15-13(17(26)22-18)3-2-9-19-15/h2-3,9,11-12H,4-8,10H2,1H3,(H,19,21)(H,20,25)(H,22,26)/t11-,18-/m1/s1
InChIKeyAPTZVOHAMXJLGT-ADLMAVQZSA-N
MW357.41 g/mol
LogP0.61
Rot. Bonds3

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

(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide (PubChem CID 95793291) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide
PubChem CID95793291
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2
InChIInChI=1S/C18H23N5O3/c1-11(16(25)20-12-4-5-12)23-10-8-18(7-6-14(23)24)21-15-13(17(26)22-18)3-2-9-19-15/h2-3,9,11-12H,4-8,10H2,1H3,(H,19,21)(H,20,25)(H,22,26)/t11-,18-/m1/s1
InChIKeyAPTZVOHAMXJLGT-ADLMAVQZSA-N
XLogP0.61
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide (CID 95793291) is (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide is C[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide?
The InChIKey is APTZVOHAMXJLGT-ADLMAVQZSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(16(25)20-12-4-5-12)23-10-8-18(7-6-14(23)24)21-15-13(17(26)22-18)3-2-9-19-15/h2-3,9,11-12H,4-8,10H2,1H3,(H,19,21)(H,20,25)(H,22,26)/t11-,18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide?
(2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(2R)-2',4-dioxospiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-1'-yl]propanamide is sourced from PubChem (CID 95793291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).