(2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide

C19H21N5O3 — CID 126700668

IUPAC(2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide
SMILESCOc1ccc(-c2nc3cc(N[C@@H](C)C(N)=O)cc4c3n2CCCO4)cn1
InChIInChI=1S/C19H21N5O3/c1-11(18(20)25)22-13-8-14-17-15(9-13)27-7-3-6-24(17)19(23-14)12-4-5-16(26-2)21-10-12/h4-5,8-11,22H,3,6-7H2,1-2H3,(H2,20,25)/t11-/m0/s1
InChIKeyMJIOWWKBXZVOJH-NSHDSACASA-N
MW367.41 g/mol
LogP2.18
Rot. Bonds5

About (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide

(2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide (PubChem CID 126700668) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide
PubChem CID126700668
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide
SMILESCOc1ccc(-c2nc3cc(N[C@@H](C)C(N)=O)cc4c3n2CCCO4)cn1
InChIInChI=1S/C19H21N5O3/c1-11(18(20)25)22-13-8-14-17-15(9-13)27-7-3-6-24(17)19(23-14)12-4-5-16(26-2)21-10-12/h4-5,8-11,22H,3,6-7H2,1-2H3,(H2,20,25)/t11-/m0/s1
InChIKeyMJIOWWKBXZVOJH-NSHDSACASA-N
XLogP2.18
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide 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 (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide (CID 126700668) is (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide is COc1ccc(-c2nc3cc(N[C@@H](C)C(N)=O)cc4c3n2CCCO4)cn1.
What is the InChIKey of (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide?
The InChIKey is MJIOWWKBXZVOJH-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11(18(20)25)22-13-8-14-17-15(9-13)27-7-3-6-24(17)19(23-14)12-4-5-16(26-2)21-10-12/h4-5,8-11,22H,3,6-7H2,1-2H3,(H2,20,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide?
(2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(6-methoxy-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide is sourced from PubChem (CID 126700668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).