2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol

C27H30N6O — CID 23132614

IUPAC2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol
SMILESNC(Cc1ccccn1)C(O)(Cc1ccccn1)C(N)(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C27H30N6O/c28-25(17-21-9-1-5-13-30-21)27(34,20-24-12-4-8-16-33-24)26(29,18-22-10-2-6-14-31-22)19-23-11-3-7-15-32-23/h1-16,25,34H,17-20,28-29H2
InChIKeyPGTPRVZWADSJOW-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.29
Rot. Bonds10

About 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol

2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol (PubChem CID 23132614) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol
PubChem CID23132614
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol
SMILESNC(Cc1ccccn1)C(O)(Cc1ccccn1)C(N)(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C27H30N6O/c28-25(17-21-9-1-5-13-30-21)27(34,20-24-12-4-8-16-33-24)26(29,18-22-10-2-6-14-31-22)19-23-11-3-7-15-32-23/h1-16,25,34H,17-20,28-29H2
InChIKeyPGTPRVZWADSJOW-UHFFFAOYSA-N
XLogP2.29
TPSA123.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol?
The IUPAC name of 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol (CID 23132614) is 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol.
What is the SMILES notation for 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol?
The canonical SMILES for 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol is NC(Cc1ccccn1)C(O)(Cc1ccccn1)C(N)(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol?
The InChIKey is PGTPRVZWADSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c28-25(17-21-9-1-5-13-30-21)27(34,20-24-12-4-8-16-33-24)26(29,18-22-10-2-6-14-31-22)19-23-11-3-7-15-32-23/h1-16,25,34H,17-20,28-29H2.
What are the key properties of 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol?
2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol has a molecular weight of 454.58 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1,5-dipyridin-2-yl-2,3-bis(pyridin-2-ylmethyl)pentan-3-ol is sourced from PubChem (CID 23132614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).