(3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

C26H31N5O3 — CID 177174471

IUPAC(3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCCNC(=O)c1cnc2c(c1)NC[C@@H]([C@H](NC[C@H](C)c1ccc(OC)nc1)c1ccccc1)O2
InChIInChI=1S/C26H31N5O3/c1-4-27-25(32)20-12-21-26(31-15-20)34-22(16-28-21)24(18-8-6-5-7-9-18)30-13-17(2)19-10-11-23(33-3)29-14-19/h5-12,14-15,17,22,24,28,30H,4,13,16H2,1-3H3,(H,27,32)/t17-,22-,24+/m0/s1
InChIKeyKPHAHAQIZHVAGZ-OZWPHOJSSA-N
MW461.57 g/mol
LogP3.54
Rot. Bonds9

About (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

(3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (PubChem CID 177174471) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
PubChem CID177174471
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name(3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCCNC(=O)c1cnc2c(c1)NC[C@@H]([C@H](NC[C@H](C)c1ccc(OC)nc1)c1ccccc1)O2
InChIInChI=1S/C26H31N5O3/c1-4-27-25(32)20-12-21-26(31-15-20)34-22(16-28-21)24(18-8-6-5-7-9-18)30-13-17(2)19-10-11-23(33-3)29-14-19/h5-12,14-15,17,22,24,28,30H,4,13,16H2,1-3H3,(H,27,32)/t17-,22-,24+/m0/s1
InChIKeyKPHAHAQIZHVAGZ-OZWPHOJSSA-N
XLogP3.54
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (CID 177174471) is (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is CCNC(=O)c1cnc2c(c1)NC[C@@H]([C@H](NC[C@H](C)c1ccc(OC)nc1)c1ccccc1)O2.
What is the InChIKey of (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The InChIKey is KPHAHAQIZHVAGZ-OZWPHOJSSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-4-27-25(32)20-12-21-26(31-15-20)34-22(16-28-21)24(18-8-6-5-7-9-18)30-13-17(2)19-10-11-23(33-3)29-14-19/h5-12,14-15,17,22,24,28,30H,4,13,16H2,1-3H3,(H,27,32)/t17-,22-,24+/m0/s1.
What are the key properties of (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
(3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[(R)-[[(2R)-2-(6-methoxy-3-pyridinyl)propyl]amino]-phenylmethyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 177174471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).