4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride

C19H24Cl2N4O3 — CID 119893186

IUPAC4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2ccccc2NC(=O)CNCC2CC2)ccn1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-20-19(25)16-10-14(8-9-22-16)26-17-5-3-2-4-15(17)23-18(24)12-21-11-13-6-7-13;;/h2-5,8-10,13,21H,6-7,11-12H2,1H3,(H,20,25)(H,23,24);2*1H
InChIKeyNDSFTAZNJPTEGG-UHFFFAOYSA-N
MW427.33 g/mol
LogP3.02
Rot. Bonds8

About 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride

4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride (PubChem CID 119893186) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
PubChem CID119893186
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2ccccc2NC(=O)CNCC2CC2)ccn1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-20-19(25)16-10-14(8-9-22-16)26-17-5-3-2-4-15(17)23-18(24)12-21-11-13-6-7-13;;/h2-5,8-10,13,21H,6-7,11-12H2,1H3,(H,20,25)(H,23,24);2*1H
InChIKeyNDSFTAZNJPTEGG-UHFFFAOYSA-N
XLogP3.02
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 120597201
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122086211
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 166412297
4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride (CID 119893186) is 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride is CNC(=O)c1cc(Oc2ccccc2NC(=O)CNCC2CC2)ccn1.Cl.Cl.
What is the InChIKey of 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is NDSFTAZNJPTEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.2ClH/c1-20-19(25)16-10-14(8-9-22-16)26-17-5-3-2-4-15(17)23-18(24)12-21-11-13-6-7-13;;/h2-5,8-10,13,21H,6-7,11-12H2,1H3,(H,20,25)(H,23,24);2*1H.
What are the key properties of 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 427.33 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119893186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).