N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C24H30N6O2 — CID 58081367

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C24H30N6O2/c1-17-11-23(25)28-18(2)22(17)13-26-24(31)21-12-27-30(16-21)15-20-5-3-19(4-6-20)14-29-7-9-32-10-8-29/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,25,28)(H,26,31)
InChIKeyKKNGSIWKXILPAS-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.29
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 58081367) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID58081367
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C24H30N6O2/c1-17-11-23(25)28-18(2)22(17)13-26-24(31)21-12-27-30(16-21)15-20-5-3-19(4-6-20)14-29-7-9-32-10-8-29/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,25,28)(H,26,31)
InChIKeyKKNGSIWKXILPAS-UHFFFAOYSA-N
XLogP2.29
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 58081367) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is KKNGSIWKXILPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-11-23(25)28-18(2)22(17)13-26-24(31)21-12-27-30(16-21)15-20-5-3-19(4-6-20)14-29-7-9-32-10-8-29/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,25,28)(H,26,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).