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

C24H28N6O3 — CID 56835862

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C24H28N6O3/c1-16-11-22(25)28-17(2)21(16)13-26-23(31)20-12-27-30(15-20)14-18-3-5-19(6-4-18)24(32)29-7-9-33-10-8-29/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,25,28)(H,26,31)
InChIKeyXNEXYQNHODUCKT-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.93
Rot. Bonds6

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 56835862) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID56835862
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C24H28N6O3/c1-16-11-22(25)28-17(2)21(16)13-26-23(31)20-12-27-30(15-20)14-18-3-5-19(6-4-18)24(32)29-7-9-33-10-8-29/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,25,28)(H,26,31)
InChIKeyXNEXYQNHODUCKT-UHFFFAOYSA-N
XLogP1.93
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.93
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-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (CID 56835862) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is XNEXYQNHODUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-11-22(25)28-17(2)21(16)13-26-23(31)20-12-27-30(15-20)14-18-3-5-19(6-4-18)24(32)29-7-9-33-10-8-29/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,25,28)(H,26,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.93, 6 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-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56835862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).