N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide

C25H32N6O — CID 90280115

IUPACN-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN)cc(C)c1CNC(=O)c1cnn(Cc2ccnc(N3CCCC3)c2)c1C
InChIInChI=1S/C25H32N6O/c1-17-10-21(13-26)11-18(2)22(17)14-28-25(32)23-15-29-31(19(23)3)16-20-6-7-27-24(12-20)30-8-4-5-9-30/h6-7,10-12,15H,4-5,8-9,13-14,16,26H2,1-3H3,(H,28,32)
InChIKeyWMPNUOFYTXKNQT-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.24
Rot. Bonds7

About N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide

N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 90280115) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID90280115
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC NameN-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN)cc(C)c1CNC(=O)c1cnn(Cc2ccnc(N3CCCC3)c2)c1C
InChIInChI=1S/C25H32N6O/c1-17-10-21(13-26)11-18(2)22(17)14-28-25(32)23-15-29-31(19(23)3)16-20-6-7-27-24(12-20)30-8-4-5-9-30/h6-7,10-12,15H,4-5,8-9,13-14,16,26H2,1-3H3,(H,28,32)
InChIKeyWMPNUOFYTXKNQT-UHFFFAOYSA-N
XLogP3.24
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86290568
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 126614088
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86898093
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
CID 71888974
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
1-(3-chlorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55912385
2,5-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901608
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide (CID 90280115) is N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1cc(CN)cc(C)c1CNC(=O)c1cnn(Cc2ccnc(N3CCCC3)c2)c1C.
What is the InChIKey of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is WMPNUOFYTXKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-17-10-21(13-26)11-18(2)22(17)14-28-25(32)23-15-29-31(19(23)3)16-20-6-7-27-24(12-20)30-8-4-5-9-30/h6-7,10-12,15H,4-5,8-9,13-14,16,26H2,1-3H3,(H,28,32).
What are the key properties of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-5-methyl-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90280115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).