N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide

C22H21N5O2 — CID 150036852

IUPACN-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide
SMILESCOCc1nn(-c2ccccc2)c2cc(C(=O)NCc3ccnc(N)c3)ccc12
InChIInChI=1S/C22H21N5O2/c1-29-14-19-18-8-7-16(22(28)25-13-15-9-10-24-21(23)11-15)12-20(18)27(26-19)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H2,23,24)(H,25,28)
InChIKeyDILBZOKKHZHIBT-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.08
Rot. Bonds6

About N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide

N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide (PubChem CID 150036852) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide
PubChem CID150036852
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide
SMILESCOCc1nn(-c2ccccc2)c2cc(C(=O)NCc3ccnc(N)c3)ccc12
InChIInChI=1S/C22H21N5O2/c1-29-14-19-18-8-7-16(22(28)25-13-15-9-10-24-21(23)11-15)12-20(18)27(26-19)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H2,23,24)(H,25,28)
InChIKeyDILBZOKKHZHIBT-UHFFFAOYSA-N
XLogP3.08
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(methoxymethyl)-1-phenylindazol-7-yl]oxymethyl]pyridin-2-amine
CID 150873063
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide
CID 58985371
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55775483
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55858680
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide?
The IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide (CID 150036852) is N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide.
What is the SMILES notation for N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide?
The canonical SMILES for N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide is COCc1nn(-c2ccccc2)c2cc(C(=O)NCc3ccnc(N)c3)ccc12.
What is the InChIKey of N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide?
The InChIKey is DILBZOKKHZHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-29-14-19-18-8-7-16(22(28)25-13-15-9-10-24-21(23)11-15)12-20(18)27(26-19)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H2,23,24)(H,25,28).
What are the key properties of N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide?
N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-pyridinyl)methyl]-3-(methoxymethyl)-1-phenylindazole-6-carboxamide is sourced from PubChem (CID 150036852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).