2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine

C87H101N15O6 — CID 161292082

IUPAC2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine
SMILESCN.CNC(=O)C(C)N.CNC(=O)C(C)NC(O)C(C)N.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1
InChIInChI=1S/3C25H23N3O.C7H17N3O2.C4H10N2O.CH5N/c3*29-25(20-13-5-2-6-14-20)23(21-15-7-9-17-26-21)24(19-11-3-1-4-12-19)28-22-16-8-10-18-27-22;1-4(8)6(11)10-5(2)7(12)9-3;1-3(5)4(7)6-2;1-2/h3*1-18,23-25,29H,(H,27,28);4-6,10-11H,8H2,1-3H3,(H,9,12);3H,5H2,1-2H3,(H,6,7);2H2,1H3
InChIKeyVGMFWWJLISXQDY-UHFFFAOYSA-N
MW1452.86 g/mol
LogP12.47
Rot. Bonds26

About 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine

2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine (PubChem CID 161292082) has the molecular formula C87H101N15O6 and a molecular weight of 1452.86 g/mol. Its IUPAC name is 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine.

Molecular Properties

Compound Name2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine
PubChem CID161292082
Molecular FormulaC87H101N15O6
Molecular Weight1452.86 g/mol
Exact Mass1451.81
IUPAC Name2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine
SMILESCN.CNC(=O)C(C)N.CNC(=O)C(C)NC(O)C(C)N.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1
InChIInChI=1S/3C25H23N3O.C7H17N3O2.C4H10N2O.CH5N/c3*29-25(20-13-5-2-6-14-20)23(21-15-7-9-17-26-21)24(19-11-3-1-4-12-19)28-22-16-8-10-18-27-22;1-4(8)6(11)10-5(2)7(12)9-3;1-3(5)4(7)6-2;1-2/h3*1-18,23-25,29H,(H,27,28);4-6,10-11H,8H2,1-3H3,(H,9,12);3H,5H2,1-2H3,(H,6,7);2H2,1H3
InChIKeyVGMFWWJLISXQDY-UHFFFAOYSA-N
XLogP12.47
TPSA342.64 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.86
LogP ≤ 512.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine 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 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine?
The IUPAC name of 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine (CID 161292082) is 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine.
What is the SMILES notation for 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine?
The canonical SMILES for 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine is CN.CNC(=O)C(C)N.CNC(=O)C(C)NC(O)C(C)N.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.
What is the InChIKey of 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine?
The InChIKey is VGMFWWJLISXQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H23N3O.C7H17N3O2.C4H10N2O.CH5N/c3*29-25(20-13-5-2-6-14-20)23(21-15-7-9-17-26-21)24(19-11-3-1-4-12-19)28-22-16-8-10-18-27-22;1-4(8)6(11)10-5(2)7(12)9-3;1-3(5)4(7)6-2;1-2/h3*1-18,23-25,29H,(H,27,28);4-6,10-11H,8H2,1-3H3,(H,9,12);3H,5H2,1-2H3,(H,6,7);2H2,1H3.
What are the key properties of 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine?
2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine has a molecular weight of 1452.86 g/mol, XLogP of 12.47, 26 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-hydroxypropyl)amino]-N-methylpropanamide;2-amino-N-methylpropanamide;tris(1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol);methanamine is sourced from PubChem (CID 161292082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).