N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide

C21H27N5O2 — CID 143853407

IUPACN-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide
SMILESCN/C=C\C(N)=N\C(=O)c1cc(Oc2ccccc2)nc(N(C)CC(C)C)c1
InChIInChI=1S/C21H27N5O2/c1-15(2)14-26(4)19-12-16(21(27)24-18(22)10-11-23-3)13-20(25-19)28-17-8-6-5-7-9-17/h5-13,15,23H,14H2,1-4H3,(H2,22,24,27)/b11-10-
InChIKeyISWNFDMEYIMHQM-KHPPLWFESA-N
MW381.48 g/mol
LogP3.20
Rot. Bonds8

About N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide

N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide (PubChem CID 143853407) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide
PubChem CID143853407
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide
SMILESCN/C=C\C(N)=N\C(=O)c1cc(Oc2ccccc2)nc(N(C)CC(C)C)c1
InChIInChI=1S/C21H27N5O2/c1-15(2)14-26(4)19-12-16(21(27)24-18(22)10-11-23-3)13-20(25-19)28-17-8-6-5-7-9-17/h5-13,15,23H,14H2,1-4H3,(H2,22,24,27)/b11-10-
InChIKeyISWNFDMEYIMHQM-KHPPLWFESA-N
XLogP3.20
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzamide
CID 143092235
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-4-(1-methoxypropan-2-ylamino)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxamide
CID 143853408
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(dimethylaminosulfanyl)phenoxy]-5-(2-hydroxy-1-sulfanylethoxy)benzamide
CID 143151936
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-6-(1-methoxypropan-2-yloxy)-4-(4-methylsulfanylphenoxy)pyridine-2-carboxamide
CID 143853396
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[(2-benzyl-1-oxo-3,4-dihydro-5,1λ4,2-benzoxathiazepin-7-yl)oxy]-5-(1-hydroxypropan-2-yloxy)benzamide
CID 143336293
N-[(Z)-1-amino-3-(ethylamino)prop-2-enylidene]-3-(1-methoxypropan-2-yloxy)-5-phenylmethoxybenzamide
CID 143336323
methyl 4-[3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]carbamoyl]-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-3-(trifluoromethyl)benzoate
CID 143092261
2-[methyl(2-methylpropyl)amino]quinoline-4-carbothioamide
CID 63885526
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[[5-(azetidine-1-carbonyl)-3-methyl-2-pyridinyl]oxy]-5-[(2S)-1-(1-fluoroethoxy)propan-2-yl]oxybenzamide
CID 143391758
2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
CID 75264488
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 143406449
N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide
CID 122602458

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide (CID 143853407) is N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide is CN/C=C\C(N)=N\C(=O)c1cc(Oc2ccccc2)nc(N(C)CC(C)C)c1.
What is the InChIKey of N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide?
The InChIKey is ISWNFDMEYIMHQM-KHPPLWFESA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(2)14-26(4)19-12-16(21(27)24-18(22)10-11-23-3)13-20(25-19)28-17-8-6-5-7-9-17/h5-13,15,23H,14H2,1-4H3,(H2,22,24,27)/b11-10-.
What are the key properties of N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide?
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-2-[methyl(2-methylpropyl)amino]-6-phenoxypyridine-4-carboxamide is sourced from PubChem (CID 143853407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).