N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide

C21H25N5O2 — CID 174992870

IUPACN-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C#N)cc(CN3CCNC(C)C3)c2C)cn1
InChIInChI=1S/C21H25N5O2/c1-14-12-26(7-6-23-14)13-18-8-16(10-22)9-19(15(18)2)25-21(27)17-4-5-20(28-3)24-11-17/h4-5,8-9,11,14,23H,6-7,12-13H2,1-3H3,(H,25,27)
InChIKeyRXUQUGWCBOHPDX-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.32
Rot. Bonds5

About N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide

N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide (PubChem CID 174992870) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide
PubChem CID174992870
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C#N)cc(CN3CCNC(C)C3)c2C)cn1
InChIInChI=1S/C21H25N5O2/c1-14-12-26(7-6-23-14)13-18-8-16(10-22)9-19(15(18)2)25-21(27)17-4-5-20(28-3)24-11-17/h4-5,8-9,11,14,23H,6-7,12-13H2,1-3H3,(H,25,27)
InChIKeyRXUQUGWCBOHPDX-UHFFFAOYSA-N
XLogP2.32
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

3-cyano-N-[5-fluoro-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 90203804
cyclopentyl 4-[[5-cyano-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 118542403
N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide
CID 118541233
N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
CID 130201686
tert-butyl (2S)-4-[[5-chloro-3-[(6-cyanopyridine-3-carbonyl)amino]-2-methylphenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 126744740
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
methyl 3-bromo-4-[[(3R)-3-methylpiperazin-1-yl]methyl]benzoate
CID 86317568
N-[3-[[(3S)-4-benzoyl-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90204353
4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 129072146
(2S)-4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 118542405
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-cyanopyridine-4-carboxamide
CID 118541235

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide (CID 174992870) is N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2cc(C#N)cc(CN3CCNC(C)C3)c2C)cn1.
What is the InChIKey of N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is RXUQUGWCBOHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-12-26(7-6-23-14)13-18-8-16(10-22)9-19(15(18)2)25-21(27)17-4-5-20(28-3)24-11-17/h4-5,8-9,11,14,23H,6-7,12-13H2,1-3H3,(H,25,27).
What are the key properties of N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide?
N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 174992870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).