3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide

C20H26N8O2 — CID 90212175

IUPAC3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide
SMILESNC1NNC(N)C1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H26N8O2/c21-17-16(18(22)27-26-17)19(29)25-15-11-24-6-5-14(15)12-1-3-13(4-2-12)20(30)28-9-7-23-8-10-28/h1-6,11,16-18,23,26-27H,7-10,21-22H2,(H,25,29)
InChIKeyNFICXVOLTDIAFZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP-0.97
Rot. Bonds4

About 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide

3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide (PubChem CID 90212175) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide
PubChem CID90212175
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide
SMILESNC1NNC(N)C1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H26N8O2/c21-17-16(18(22)27-26-17)19(29)25-15-11-24-6-5-14(15)12-1-3-13(4-2-12)20(30)28-9-7-23-8-10-28/h1-6,11,16-18,23,26-27H,7-10,21-22H2,(H,25,29)
InChIKeyNFICXVOLTDIAFZ-UHFFFAOYSA-N
XLogP-0.97
TPSA150.43 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 5-0.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 152569866
isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
[4-[2-(aminomethyl)-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 54024487
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
1,4-diazepan-1-yl(isoquinolin-6-yl)methanone
CID 110485142
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 23740446
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524541

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide (CID 90212175) is 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide is NC1NNC(N)C1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide?
The InChIKey is NFICXVOLTDIAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c21-17-16(18(22)27-26-17)19(29)25-15-11-24-6-5-14(15)12-1-3-13(4-2-12)20(30)28-9-7-23-8-10-28/h1-6,11,16-18,23,26-27H,7-10,21-22H2,(H,25,29).
What are the key properties of 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide?
3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of -0.97, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 90212175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).