N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide

C18H27N5O2 — CID 95145067

IUPACN-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCc2ncnc(N3CCOCC3)c2C1)C1CC1
InChIInChI=1S/C18H27N5O2/c1-13(14-2-3-14)21-17(24)11-22-5-4-16-15(10-22)18(20-12-19-16)23-6-8-25-9-7-23/h12-14H,2-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyVHLJTMQSRPDBMV-ZDUSSCGKSA-N
MW345.45 g/mol
LogP0.59
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide

N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 95145067) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID95145067
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCc2ncnc(N3CCOCC3)c2C1)C1CC1
InChIInChI=1S/C18H27N5O2/c1-13(14-2-3-14)21-17(24)11-22-5-4-16-15(10-22)18(20-12-19-16)23-6-8-25-9-7-23/h12-14H,2-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyVHLJTMQSRPDBMV-ZDUSSCGKSA-N
XLogP0.59
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 95145067) is N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide is C[C@H](NC(=O)CN1CCc2ncnc(N3CCOCC3)c2C1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is VHLJTMQSRPDBMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(14-2-3-14)21-17(24)11-22-5-4-16-15(10-22)18(20-12-19-16)23-6-8-25-9-7-23/h12-14H,2-11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 95145067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).