4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide

C25H26N4O3 — CID 123476978

IUPAC4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
SMILESNCc1ccc(NC(=O)C2CCc3ccc(OCc4ccnc(C(N)=O)c4)cc3C2)cc1
InChIInChI=1S/C25H26N4O3/c26-14-16-1-6-21(7-2-16)29-25(31)19-4-3-18-5-8-22(13-20(18)12-19)32-15-17-9-10-28-23(11-17)24(27)30/h1-2,5-11,13,19H,3-4,12,14-15,26H2,(H2,27,30)(H,29,31)
InChIKeyYLXWKITUSOBNOO-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.96
Rot. Bonds7

About 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide

4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 123476978) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID123476978
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
SMILESNCc1ccc(NC(=O)C2CCc3ccc(OCc4ccnc(C(N)=O)c4)cc3C2)cc1
InChIInChI=1S/C25H26N4O3/c26-14-16-1-6-21(7-2-16)29-25(31)19-4-3-18-5-8-22(13-20(18)12-19)32-15-17-9-10-28-23(11-17)24(27)30/h1-2,5-11,13,19H,3-4,12,14-15,26H2,(H2,27,30)(H,29,31)
InChIKeyYLXWKITUSOBNOO-UHFFFAOYSA-N
XLogP2.96
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[7-[[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 90950052
4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 123691902
(2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355181
methyl N-[4-[[(7S)-7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]carbamate
CID 123961872
(3R)-N-[4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 69438082
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 68536358
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[[2-(1H-pyrazol-5-ylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721513
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721438
N-(3-tert-butylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721731
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58055283
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 138029318

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide (CID 123476978) is 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide is NCc1ccc(NC(=O)C2CCc3ccc(OCc4ccnc(C(N)=O)c4)cc3C2)cc1.
What is the InChIKey of 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is YLXWKITUSOBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c26-14-16-1-6-21(7-2-16)29-25(31)19-4-3-18-5-8-22(13-20(18)12-19)32-15-17-9-10-28-23(11-17)24(27)30/h1-2,5-11,13,19H,3-4,12,14-15,26H2,(H2,27,30)(H,29,31).
What are the key properties of 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 123476978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).