N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide

C27H28N6O — CID 134263953

IUPACN-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
SMILESNCCc1ccc(NC(=O)c2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)cc1
InChIInChI=1S/C27H28N6O/c28-14-13-21-7-10-23(11-8-21)32-27(34)22-9-12-26(31-17-22)20-33(18-24-5-1-3-15-29-24)19-25-6-2-4-16-30-25/h1-12,15-17H,13-14,18-20,28H2,(H,32,34)
InChIKeyUUZFMTRQCUDVQK-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.83
Rot. Bonds10

About N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide

N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide (PubChem CID 134263953) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
PubChem CID134263953
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC NameN-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
SMILESNCCc1ccc(NC(=O)c2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)cc1
InChIInChI=1S/C27H28N6O/c28-14-13-21-7-10-23(11-8-21)32-27(34)22-9-12-26(31-17-22)20-33(18-24-5-1-3-15-29-24)19-25-6-2-4-16-30-25/h1-12,15-17H,13-14,18-20,28H2,(H,32,34)
InChIKeyUUZFMTRQCUDVQK-UHFFFAOYSA-N
XLogP3.83
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

[(2R)-1-[[(2R)-1-[2-[4-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 139489029
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-[4-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 134274836
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide
CID 47080763
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
CID 59434890
CID 59434890
4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]piperazine-1-carboxylic acid
CID 134264032
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
1-N-[4-(2-aminoethyl)phenyl]-4-N-[4-[2-(diformylamino)ethyl]phenyl]benzene-1,4-dicarboxamide
CID 169262539

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide (CID 134263953) is N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide is NCCc1ccc(NC(=O)c2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
The InChIKey is UUZFMTRQCUDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c28-14-13-21-7-10-23(11-8-21)32-27(34)22-9-12-26(31-17-22)20-33(18-24-5-1-3-15-29-24)19-25-6-2-4-16-30-25/h1-12,15-17H,13-14,18-20,28H2,(H,32,34).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 134263953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).