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

C22H27N7O2 — CID 56836784

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H27N7O2/c1-15-9-20(23)27-16(2)19(15)12-25-22(30)18-11-26-29(14-18)13-17-3-4-24-21(10-17)28-5-7-31-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H2,23,27)(H,25,30)
InChIKeyGDDDMMNDJRDZCI-UHFFFAOYSA-N
MW421.51 g/mol
LogP1.69
Rot. Bonds6

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 56836784) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID56836784
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H27N7O2/c1-15-9-20(23)27-16(2)19(15)12-25-22(30)18-11-26-29(14-18)13-17-3-4-24-21(10-17)28-5-7-31-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H2,23,27)(H,25,30)
InChIKeyGDDDMMNDJRDZCI-UHFFFAOYSA-N
XLogP1.69
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide (CID 56836784) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is GDDDMMNDJRDZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-15-9-20(23)27-16(2)19(15)12-25-22(30)18-11-26-29(14-18)13-17-3-4-24-21(10-17)28-5-7-31-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H2,23,27)(H,25,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).