(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide

C27H28N6O — CID 102088447

IUPAC(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C27H28N6O/c1-22(32(18-23-10-2-6-14-28-23)19-24-11-3-7-15-29-24)27(34)33(20-25-12-4-8-16-30-25)21-26-13-5-9-17-31-26/h2-17,22H,18-21H2,1H3/t22-/m0/s1
InChIKeyFPTZENDHGZFUCH-QFIPXVFZSA-N
MW452.56 g/mol
LogP3.89
Rot. Bonds10

About (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide

(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide (PubChem CID 102088447) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
PubChem CID102088447
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C27H28N6O/c1-22(32(18-23-10-2-6-14-28-23)19-24-11-3-7-15-29-24)27(34)33(20-25-12-4-8-16-30-25)21-26-13-5-9-17-31-26/h2-17,22H,18-21H2,1H3/t22-/m0/s1
InChIKeyFPTZENDHGZFUCH-QFIPXVFZSA-N
XLogP3.89
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide (CID 102088447) is (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide is C[C@@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide?
The InChIKey is FPTZENDHGZFUCH-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H28N6O/c1-22(32(18-23-10-2-6-14-28-23)19-24-11-3-7-15-29-24)27(34)33(20-25-12-4-8-16-30-25)21-26-13-5-9-17-31-26/h2-17,22H,18-21H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide?
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide has a molecular weight of 452.56 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 102088447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).