N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

C21H18N6O3 — CID 154635328

IUPACN-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(COc2c(NC(=O)c3ccncc3)cccc2-n2cnnn2)cc1
InChIInChI=1S/C21H18N6O3/c1-29-17-7-5-15(6-8-17)13-30-20-18(24-21(28)16-9-11-22-12-10-16)3-2-4-19(20)27-14-23-25-26-27/h2-12,14H,13H2,1H3,(H,24,28)
InChIKeyDZHAGSNCLUYXJM-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 154635328) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID154635328
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(COc2c(NC(=O)c3ccncc3)cccc2-n2cnnn2)cc1
InChIInChI=1S/C21H18N6O3/c1-29-17-7-5-15(6-8-17)13-30-20-18(24-21(28)16-9-11-22-12-10-16)3-2-4-19(20)27-14-23-25-26-27/h2-12,14H,13H2,1H3,(H,24,28)
InChIKeyDZHAGSNCLUYXJM-UHFFFAOYSA-N
XLogP2.90
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-carbamoyl-2-phenylmethoxyphenyl)pyridine-4-carboxamide
CID 174611356
N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635315
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288
N-imidazo[1,2-a]pyridin-8-yl-4-methoxybenzamide
CID 110735065
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55763737
N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635330
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 50820638
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
N-hydroxy-4-[[3-[(4-methoxybenzoyl)amino]phenoxy]methyl]benzamide
CID 153407823

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 154635328) is N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is COc1ccc(COc2c(NC(=O)c3ccncc3)cccc2-n2cnnn2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is DZHAGSNCLUYXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-29-17-7-5-15(6-8-17)13-30-20-18(24-21(28)16-9-11-22-12-10-16)3-2-4-19(20)27-14-23-25-26-27/h2-12,14H,13H2,1H3,(H,24,28).
What are the key properties of N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methoxy]-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154635328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).