N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine

C17H20N4 — CID 62294643

IUPACN-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1-n1ncc2ccccc21
InChIInChI=1S/C17H20N4/c1-13(2)10-18-11-15-7-5-9-19-17(15)21-16-8-4-3-6-14(16)12-20-21/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyISAAOBRMNFWONU-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.17
Rot. Bonds5

About N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 62294643) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID62294643
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1-n1ncc2ccccc21
InChIInChI=1S/C17H20N4/c1-13(2)10-18-11-15-7-5-9-19-17(15)21-16-8-4-3-6-14(16)12-20-21/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyISAAOBRMNFWONU-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 62294641
(2-indazol-1-yl-3-pyridinyl)methanol
CID 62140582
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62293679
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412532
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 62141700
N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62448270
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83221223

Frequently Asked Questions

What is the IUPAC name of N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine (CID 62294643) is N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccnc1-n1ncc2ccccc21.
What is the InChIKey of N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is ISAAOBRMNFWONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13(2)10-18-11-15-7-5-9-19-17(15)21-16-8-4-3-6-14(16)12-20-21/h3-9,12-13,18H,10-11H2,1-2H3.
What are the key properties of N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62294643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).