4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

C20H27N5O2 — CID 143791165

IUPAC4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCCC(CC)NC1Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2N1
InChIInChI=1S/C20H27N5O2/c1-4-6-13(5-2)23-20-24-16-8-7-14(11-17(16)25-20)27-15-9-10-22-18(12-15)19(26)21-3/h7-13,20,23-25H,4-6H2,1-3H3,(H,21,26)
InChIKeyCSZXNJKSUWQLDN-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.52
Rot. Bonds8

About 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 143791165) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID143791165
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCCC(CC)NC1Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2N1
InChIInChI=1S/C20H27N5O2/c1-4-6-13(5-2)23-20-24-16-8-7-14(11-17(16)25-20)27-15-9-10-22-18(12-15)19(26)21-3/h7-13,20,23-25H,4-6H2,1-3H3,(H,21,26)
InChIKeyCSZXNJKSUWQLDN-UHFFFAOYSA-N
XLogP3.52
TPSA87.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 143083791
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[(6-amino-5-ethyl-3-pyridinyl)oxy]-N-methylpyridine-2-carboxamide
CID 169032834
4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 123648832
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 143791165) is 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CCCC(CC)NC1Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2N1.
What is the InChIKey of 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is CSZXNJKSUWQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-6-13(5-2)23-20-24-16-8-7-14(11-17(16)25-20)27-15-9-10-22-18(12-15)19(26)21-3/h7-13,20,23-25H,4-6H2,1-3H3,(H,21,26).
What are the key properties of 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 143791165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).