N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

C21H25N7O2S — CID 15980349

IUPACN-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1cncc(-c2cnc(Nc3cc(CN4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C21H25N7O2S/c22-2-4-25-20(29)17-10-16(11-23-12-17)18-13-26-21(31-18)27-19-9-15(1-3-24-19)14-28-5-7-30-8-6-28/h1,3,9-13H,2,4-8,14,22H2,(H,25,29)(H,24,26,27)
InChIKeyNZHZVDGBBZFVPN-UHFFFAOYSA-N
MW439.55 g/mol
LogP1.86
Rot. Bonds8

About N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (PubChem CID 15980349) has the molecular formula C21H25N7O2S and a molecular weight of 439.55 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
PubChem CID15980349
Molecular FormulaC21H25N7O2S
Molecular Weight439.55 g/mol
Exact Mass439.18
IUPAC NameN-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1cncc(-c2cnc(Nc3cc(CN4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C21H25N7O2S/c22-2-4-25-20(29)17-10-16(11-23-12-17)18-13-26-21(31-18)27-19-9-15(1-3-24-19)14-28-5-7-30-8-6-28/h1,3,9-13H,2,4-8,14,22H2,(H,25,29)(H,24,26,27)
InChIKeyNZHZVDGBBZFVPN-UHFFFAOYSA-N
XLogP1.86
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (CID 15980349) is N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is NCCNC(=O)c1cncc(-c2cnc(Nc3cc(CN4CCOCC4)ccn3)s2)c1.
What is the InChIKey of N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The InChIKey is NZHZVDGBBZFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2S/c22-2-4-25-20(29)17-10-16(11-23-12-17)18-13-26-21(31-18)27-19-9-15(1-3-24-19)14-28-5-7-30-8-6-28/h1,3,9-13H,2,4-8,14,22H2,(H,25,29)(H,24,26,27).
What are the key properties of N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).