N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

C23H29N5O — CID 46961442

IUPACN-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1cccnc1-n1cccc1CN(CCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C23H29N5O/c1-20-5-2-9-25-23(20)28-10-4-7-22(28)19-27(18-21-6-3-8-24-17-21)12-11-26-13-15-29-16-14-26/h2-10,17H,11-16,18-19H2,1H3
InChIKeyAQTCCHDZSHNYGB-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.91
Rot. Bonds8

About N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 46961442) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID46961442
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1cccnc1-n1cccc1CN(CCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C23H29N5O/c1-20-5-2-9-25-23(20)28-10-4-7-22(28)19-27(18-21-6-3-8-24-17-21)12-11-26-13-15-29-16-14-26/h2-10,17H,11-16,18-19H2,1H3
InChIKeyAQTCCHDZSHNYGB-UHFFFAOYSA-N
XLogP2.91
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (CID 46961442) is N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is Cc1cccnc1-n1cccc1CN(CCN1CCOCC1)Cc1cccnc1.
What is the InChIKey of N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is AQTCCHDZSHNYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-20-5-2-9-25-23(20)28-10-4-7-22(28)19-27(18-21-6-3-8-24-17-21)12-11-26-13-15-29-16-14-26/h2-10,17H,11-16,18-19H2,1H3.
What are the key properties of N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 391.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 46961442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).