N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide

C17H23N7O2 — CID 119346030

IUPACN-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1nc(N)nc(COc2cccc(NC(=O)C3CCCN3)c2)n1
InChIInChI=1S/C17H23N7O2/c1-24(2)17-22-14(21-16(18)23-17)10-26-12-6-3-5-11(9-12)20-15(25)13-7-4-8-19-13/h3,5-6,9,13,19H,4,7-8,10H2,1-2H3,(H,20,25)(H2,18,21,22,23)
InChIKeyLVRHTVUAXINKLK-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.79
Rot. Bonds6

About N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide

N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 119346030) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID119346030
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1nc(N)nc(COc2cccc(NC(=O)C3CCCN3)c2)n1
InChIInChI=1S/C17H23N7O2/c1-24(2)17-22-14(21-16(18)23-17)10-26-12-6-3-5-11(9-12)20-15(25)13-7-4-8-19-13/h3,5-6,9,13,19H,4,7-8,10H2,1-2H3,(H,20,25)(H2,18,21,22,23)
InChIKeyLVRHTVUAXINKLK-UHFFFAOYSA-N
XLogP0.79
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 136525918
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide (CID 119346030) is N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide is CN(C)c1nc(N)nc(COc2cccc(NC(=O)C3CCCN3)c2)n1.
What is the InChIKey of N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LVRHTVUAXINKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-24(2)17-22-14(21-16(18)23-17)10-26-12-6-3-5-11(9-12)20-15(25)13-7-4-8-19-13/h3,5-6,9,13,19H,4,7-8,10H2,1-2H3,(H,20,25)(H2,18,21,22,23).
What are the key properties of N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119346030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).