N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide

C26H30N4O2 — CID 86878011

IUPACN-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1)C(C)C
InChIInChI=1S/C26H30N4O2/c1-4-30(19(2)3)18-21-5-9-22(10-6-21)25(31)28-17-20-7-11-24(12-8-20)29-26(32)23-13-15-27-16-14-23/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyXUYKUWYMSNYVRY-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.49
Rot. Bonds9

About N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 86878011) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID86878011
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1)C(C)C
InChIInChI=1S/C26H30N4O2/c1-4-30(19(2)3)18-21-5-9-22(10-6-21)25(31)28-17-20-7-11-24(12-8-20)29-26(32)23-13-15-27-16-14-23/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyXUYKUWYMSNYVRY-UHFFFAOYSA-N
XLogP4.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763
4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18106356
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 86878011) is N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide is CCN(Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1)C(C)C.
What is the InChIKey of N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is XUYKUWYMSNYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-4-30(19(2)3)18-21-5-9-22(10-6-21)25(31)28-17-20-7-11-24(12-8-20)29-26(32)23-13-15-27-16-14-23/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86878011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).