N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide

C19H19F2N5O3 — CID 171497493

IUPACN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
SMILESCOc1ccc2c(n1)C1(CC1)N(CC(=O)N[C@H](C)c1ncc(F)cc1F)C(=O)N2
InChIInChI=1S/C19H19F2N5O3/c1-10(16-12(21)7-11(20)8-22-16)23-14(27)9-26-18(28)24-13-3-4-15(29-2)25-17(13)19(26)5-6-19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,23,27)(H,24,28)/t10-/m1/s1
InChIKeyPDAKNAHRGSKWFD-SNVBAGLBSA-N
MW403.39 g/mol
LogP2.48
Rot. Bonds5

About N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide

N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide (PubChem CID 171497493) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
PubChem CID171497493
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC NameN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
SMILESCOc1ccc2c(n1)C1(CC1)N(CC(=O)N[C@H](C)c1ncc(F)cc1F)C(=O)N2
InChIInChI=1S/C19H19F2N5O3/c1-10(16-12(21)7-11(20)8-22-16)23-14(27)9-26-18(28)24-13-3-4-15(29-2)25-17(13)19(26)5-6-19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,23,27)(H,24,28)/t10-/m1/s1
InChIKeyPDAKNAHRGSKWFD-SNVBAGLBSA-N
XLogP2.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
CID 171497341
2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid
CID 171497257
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 171497423
N-[(1R)-1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171497613
(2R)-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)-4-hydroxy-4-methylpentanamide
CID 177351029
N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171496897
N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171497267
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 176748885
N-[1-(3,5-difluoro-2-pyridinyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 176748857
N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171496996
N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 177351352
N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide
CID 171496958

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide (CID 171497493) is N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide is COc1ccc2c(n1)C1(CC1)N(CC(=O)N[C@H](C)c1ncc(F)cc1F)C(=O)N2.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
The InChIKey is PDAKNAHRGSKWFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c1-10(16-12(21)7-11(20)8-22-16)23-14(27)9-26-18(28)24-13-3-4-15(29-2)25-17(13)19(26)5-6-19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,23,27)(H,24,28)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide has a molecular weight of 403.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide is sourced from PubChem (CID 171497493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).